7-chloro-2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole

C15H18Cl2N2O — CID 63827569

IUPAC7-chloro-2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole
SMILESClCc1nc2cccc(Cl)c2n1CCOC1CCCC1
InChIInChI=1S/C15H18Cl2N2O/c16-10-14-18-13-7-3-6-12(17)15(13)19(14)8-9-20-11-4-1-2-5-11/h3,6-7,11H,1-2,4-5,8-10H2
InChIKeyIWEHCGVBCDVZGI-UHFFFAOYSA-N
MW313.23 g/mol
LogP4.39
Rot. Bonds5

About 7-chloro-2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole

7-chloro-2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole (PubChem CID 63827569) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is 7-chloro-2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole
PubChem CID63827569
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC Name7-chloro-2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole
SMILESClCc1nc2cccc(Cl)c2n1CCOC1CCCC1
InChIInChI=1S/C15H18Cl2N2O/c16-10-14-18-13-7-3-6-12(17)15(13)19(14)8-9-20-11-4-1-2-5-11/h3,6-7,11H,1-2,4-5,8-10H2
InChIKeyIWEHCGVBCDVZGI-UHFFFAOYSA-N
XLogP4.39
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 43659933
7-chloro-2-(chloromethyl)-1-(3-methylbutyl)benzimidazole
CID 43659958
2-(chloromethyl)-1-(2-cyclopentyloxyethyl)-5-fluorobenzimidazole
CID 63826513
2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine
CID 79305999
2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole-4-carbonitrile
CID 104719711
2-(2-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine
CID 79294752
4-[2-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]thiomorpholine
CID 106326545
7-chloro-2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazole
CID 107164720
7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole
CID 43661018
2-(chloromethyl)-1-(cyclopentylmethyl)-7-methylbenzimidazole
CID 115552982
7-chloro-2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole
CID 79234541
2-(chloromethyl)-7-methyl-1-[2-(oxan-2-yl)ethyl]benzimidazole
CID 106004974

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole?
The IUPAC name of 7-chloro-2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole (CID 63827569) is 7-chloro-2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole is ClCc1nc2cccc(Cl)c2n1CCOC1CCCC1.
What is the InChIKey of 7-chloro-2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole?
The InChIKey is IWEHCGVBCDVZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c16-10-14-18-13-7-3-6-12(17)15(13)19(14)8-9-20-11-4-1-2-5-11/h3,6-7,11H,1-2,4-5,8-10H2.
What are the key properties of 7-chloro-2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole?
7-chloro-2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole has a molecular weight of 313.23 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole is sourced from PubChem (CID 63827569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).